ICENTICAFTOR

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: AMB0BO0WFH

Structure
InChI Key USHQRIKZLHNPQR-JTQLQIEISA-N
Smile COc1nc(C(=O)NC[C@](C)(O)C(F)(F)F)c(N)cc1C(F)(F)F
InChI
InChI=1S/C12H13F6N3O3/c1-10(23,12(16,17)18)4-20-8(22)7-6(19)3-5(11(13,14)15)9(21-7)24-2/h3,23H,4,19H2,1-2H3,(H,20,22)/t10-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H13F6N3O3
Molecular Weight 361.24
AlogP 1.73
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 97.47
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
ACTIVATOR Cystic fibrosis transmembrane conductance regulator activator
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Other ion channel Chloride channel Cystic fibrosis transmembrane conductance regulator
30-500 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cystic Fibrosis 1 D003550 ClinicalTrials
Liver Failure 1 D017093 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4650318
FDA SRS AMB0BO0WFH
PubChem 58442344
SureChEMBL SCHEMBL2372751
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